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Home/Compounds/CAS 75706-12-6
Formula C12H9F3N2O2MW 270.21Research-use catalog entryCOA/SDS by request

Leflunomide

CAS Number: 75706-12-6

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Loading RDKit molecule structure...
InChIKey: VHOGYURTWQBHIL-UHFFFAOYSA-NC12H9F3N2O2 | MW 270.21

Chemical Absolute Identifiers

CAS Number

75706-12-6

PubChem CID

3899

Molecular Formula

C12H9F3N2O2

Molecular Weight

270.21 g/mol

Exact Mass

270.061612

InChIKey

VHOGYURTWQBHIL-UHFFFAOYSA-N

IUPAC Name

5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

SMILES String

CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Physical Properties

Melting Point

165–166.5 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Leflunomide (CAS 75706-12-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C12H9F3N2O2 and molecular weight 270. 21 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus) — 2 assays; Cytochrome P450 1A2 (Homo sapiens) — 2 assays; Huntingtin (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Dihydroorotate dehydrogenase (quinone), mitochondrial

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.05

Experimental evidence source: ChEMBL

Cytochrome P450 1A2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.2

Experimental evidence source: ChEMBL

Huntingtin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.5

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.2

Experimental evidence source: ChEMBL

Dihydroorotate dehydrogenase (quinone), mitochondrial

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.1

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Leflunomide

Names & Synonyms

AravaLeflunomidaLeflunomidumRepsoleflunomide medac
Show all synonyms
SU101Leflunomide tevaLeflunomide winthrop5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilideSULOLLeflunomide ratiopharm5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamidealpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-N-(4-(TRIFLUOROMETHYL)PHENYL) 5 METHYLISOXAZOLE-4-CARBOXAMIDE5-methyl-N-(4-(trifluoromethyl)phenyl)-1,2-oxazole-4-carboxamideN-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide
External Identifiers
EC NUMBER: 616-254-6DSSTOX SUBSTANCE ID: DTXSID9023201CHEMBL ID: CHEMBL960CHEBI ID: CHEBI:6402UNII: G162GK9U4WDRUGBANK ID: DB01097HMDB ID: HMDB0015229KEGG ID: C07905KEGG ID: D00749METABOLOMICS WORKBENCH ID: 43327NCI THESAURUS CODE: C1128PHARMGKB ID: PA450192RXCUI: 27169WIKIDATA ID: Q248550
Experimental Spectrum References
ATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1016/j.ejmech.2023.116016Targeting PIM kinases in cancer therapy: An update on pharmacological small-molecule inhibitors.DOI 10.1016/j.ejmech.2023.116069Broad-spectrum antiviral strategy: Host-targeting antivirals against emerging and re-emerging viruses.DOI 10.1016/j.isci.2024.108907Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelDOI 10.1021/acs.jmedchem.4c00809Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.PMID 38071792Targeting PIM kinases in cancer therapy: An update on pharmacological small-molecule inhibitors.PMID 38160620Broad-spectrum antiviral strategy: Host-targeting antivirals against emerging and re-emerging viruses.PMID 38318365Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelPMID 38889244Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

3-oxo-N-(4-(trifluoromethyl)phenyl)butanamideCAS 351-87-1
5-Methyl-1,2-oxazole-4-carbonyl chlorideCAS 67305-24-2
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamideCAS 24522-30-3
TeriflunomideCAS 163451-81-8
Ethyl 5-methylisoxazole-4-carboxylateCAS 51135-73-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 351-87-13-oxo-N-(4-(trifluoromethyl)phenyl)butanamideCAS 67305-24-25-Methyl-1,2-oxazole-4-carbonyl chlorideCAS 24522-30-32-Cyano-N-[4-(trifluoromethyl)phenyl]acetamideCAS 163451-81-8TeriflunomideCAS 51135-73-0Ethyl 5-methylisoxazole-4-carboxylateCAS 23593-75-1ClotrimazoleCAS 21829-25-4NifedipineCAS 138402-11-6IrbesartanCAS 455-14-14-(Trifluoromethyl)anilineCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

RFQ questions for CAS 75706-12-6

What are the key identifiers for Leflunomide (CAS 75706-12-6)?

Leflunomide is identified by CAS 75706-12-6, with molecular formula C12H9F3N2O2, molecular weight 270.21, InChIKey VHOGYURTWQBHIL-UHFFFAOYSA-N.

Does CAS 75706-12-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Dihydroorotate dehydrogenase (quinone), mitochondrial, Cytochrome P450 1A2, Huntingtin, Cytochrome P450 3A4, Dihydroorotate dehydrogenase (quinone), mitochondrial. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 75706-12-6?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Leflunomide?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 75706-12-6 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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